[(3R)-1-prop-2-enoylpyrrolidin-3-yl]carbamic acid

C8H12N2O3 — CID 155344249

IUPAC[(3R)-1-prop-2-enoylpyrrolidin-3-yl]carbamic acid
SMILESC=CC(=O)N1CC[C@@H](NC(=O)O)C1
InChIInChI=1S/C8H12N2O3/c1-2-7(11)10-4-3-6(5-10)9-8(12)13/h2,6,9H,1,3-5H2,(H,12,13)/t6-/m1/s1
InChIKeyPRIRNEXVBPHEMM-ZCFIWIBFSA-N
MW184.19 g/mol
LogP0.04
Rot. Bonds2

About [(3R)-1-prop-2-enoylpyrrolidin-3-yl]carbamic acid

[(3R)-1-prop-2-enoylpyrrolidin-3-yl]carbamic acid (PubChem CID 155344249) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is [(3R)-1-prop-2-enoylpyrrolidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3R)-1-prop-2-enoylpyrrolidin-3-yl]carbamic acid
PubChem CID155344249
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name[(3R)-1-prop-2-enoylpyrrolidin-3-yl]carbamic acid
SMILESC=CC(=O)N1CC[C@@H](NC(=O)O)C1
InChIInChI=1S/C8H12N2O3/c1-2-7(11)10-4-3-6(5-10)9-8(12)13/h2,6,9H,1,3-5H2,(H,12,13)/t6-/m1/s1
InChIKeyPRIRNEXVBPHEMM-ZCFIWIBFSA-N
XLogP0.04
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethane;N-(1-prop-2-enoylpyrrolidin-3-yl)propanamide
CID 176702681
N-(1-prop-2-enoylpiperidin-3-yl)acetamide
CID 60949044
1-prop-2-enoylpiperidine-3,4-dicarboxylic acid
CID 112567977
N-(1-prop-1-en-2-ylpyrrolidin-3-yl)prop-2-enamide
CID 135183234
3-(prop-2-enoylamino)pyrrolidine-1-carboxamide
CID 130617016
1-[(3S)-3-sulfanylpyrrolidin-1-yl]prop-2-en-1-one
CID 138538887
(3S)-1-prop-2-enoylpyrrolidine-3-carbaldehyde
CID 166115678
[1-(2-cyanoacetyl)pyrrolidin-3-yl]carbamic acid
CID 118077504
1-[3-methyl-4-(methylamino)piperidin-1-yl]prop-2-en-1-one
CID 176981883
1-[(3S)-3-(tert-butylamino)azepan-1-yl]prop-2-en-1-one
CID 146367286
1-[(3S)-3-(azetidin-1-yl)pyrrolidin-1-yl]prop-2-en-1-one
CID 177022778
[1-[3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enoyl]pyrrolidin-3-yl]carbamic acid
CID 75307497

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-prop-2-enoylpyrrolidin-3-yl]carbamic acid?
The IUPAC name of [(3R)-1-prop-2-enoylpyrrolidin-3-yl]carbamic acid (CID 155344249) is [(3R)-1-prop-2-enoylpyrrolidin-3-yl]carbamic acid.
What is the SMILES notation for [(3R)-1-prop-2-enoylpyrrolidin-3-yl]carbamic acid?
The canonical SMILES for [(3R)-1-prop-2-enoylpyrrolidin-3-yl]carbamic acid is C=CC(=O)N1CC[C@@H](NC(=O)O)C1.
What is the InChIKey of [(3R)-1-prop-2-enoylpyrrolidin-3-yl]carbamic acid?
The InChIKey is PRIRNEXVBPHEMM-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-2-7(11)10-4-3-6(5-10)9-8(12)13/h2,6,9H,1,3-5H2,(H,12,13)/t6-/m1/s1.
What are the key properties of [(3R)-1-prop-2-enoylpyrrolidin-3-yl]carbamic acid?
[(3R)-1-prop-2-enoylpyrrolidin-3-yl]carbamic acid has a molecular weight of 184.19 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-prop-2-enoylpyrrolidin-3-yl]carbamic acid is sourced from PubChem (CID 155344249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).